N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline

C17H17N5O — CID 5377685

IUPACN-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline
SMILESCOc1ccc(-n2nnnc2/C=C\Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17N5O/c1-13-3-5-14(6-4-13)18-12-11-17-19-20-21-22(17)15-7-9-16(23-2)10-8-15/h3-12,18H,1-2H3/b12-11-
InChIKeyWWMJNPCDUHAWFQ-QXMHVHEDSA-N
MW307.36 g/mol
LogP3.06
Rot. Bonds5

About N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline

N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline (PubChem CID 5377685) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline
PubChem CID5377685
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline
SMILESCOc1ccc(-n2nnnc2/C=C\Nc2ccc(C)cc2)cc1
InChIInChI=1S/C17H17N5O/c1-13-3-5-14(6-4-13)18-12-11-17-19-20-21-22(17)15-7-9-16(23-2)10-8-15/h3-12,18H,1-2H3/b12-11-
InChIKeyWWMJNPCDUHAWFQ-QXMHVHEDSA-N
XLogP3.06
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline?
The IUPAC name of N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline (CID 5377685) is N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline.
What is the SMILES notation for N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline?
The canonical SMILES for N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline is COc1ccc(-n2nnnc2/C=C\Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline?
The InChIKey is WWMJNPCDUHAWFQ-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H17N5O/c1-13-3-5-14(6-4-13)18-12-11-17-19-20-21-22(17)15-7-9-16(23-2)10-8-15/h3-12,18H,1-2H3/b12-11-.
What are the key properties of N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline?
N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline has a molecular weight of 307.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]ethenyl]-4-methylaniline is sourced from PubChem (CID 5377685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).